2-(cyclopropanecarbonylamino)-N,4-dimethylpyrimidine-5-carboxamide

C11H14N4O2 — CID 177347100

IUPAC2-(cyclopropanecarbonylamino)-N,4-dimethylpyrimidine-5-carboxamide
SMILESCNC(=O)c1cnc(NC(=O)C2CC2)nc1C
InChIInChI=1S/C11H14N4O2/c1-6-8(10(17)12-2)5-13-11(14-6)15-9(16)7-3-4-7/h5,7H,3-4H2,1-2H3,(H,12,17)(H,13,14,15,16)
InChIKeyKXIDSROHRDMPTP-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.49
Rot. Bonds3

About 2-(cyclopropanecarbonylamino)-N,4-dimethylpyrimidine-5-carboxamide

2-(cyclopropanecarbonylamino)-N,4-dimethylpyrimidine-5-carboxamide (PubChem CID 177347100) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-(cyclopropanecarbonylamino)-N,4-dimethylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(cyclopropanecarbonylamino)-N,4-dimethylpyrimidine-5-carboxamide
PubChem CID177347100
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name2-(cyclopropanecarbonylamino)-N,4-dimethylpyrimidine-5-carboxamide
SMILESCNC(=O)c1cnc(NC(=O)C2CC2)nc1C
InChIInChI=1S/C11H14N4O2/c1-6-8(10(17)12-2)5-13-11(14-6)15-9(16)7-3-4-7/h5,7H,3-4H2,1-2H3,(H,12,17)(H,13,14,15,16)
InChIKeyKXIDSROHRDMPTP-UHFFFAOYSA-N
XLogP0.49
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonylamino)-N,4-dimethylpyrimidine-5-carboxamide?
The IUPAC name of 2-(cyclopropanecarbonylamino)-N,4-dimethylpyrimidine-5-carboxamide (CID 177347100) is 2-(cyclopropanecarbonylamino)-N,4-dimethylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(cyclopropanecarbonylamino)-N,4-dimethylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(cyclopropanecarbonylamino)-N,4-dimethylpyrimidine-5-carboxamide is CNC(=O)c1cnc(NC(=O)C2CC2)nc1C.
What is the InChIKey of 2-(cyclopropanecarbonylamino)-N,4-dimethylpyrimidine-5-carboxamide?
The InChIKey is KXIDSROHRDMPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-6-8(10(17)12-2)5-13-11(14-6)15-9(16)7-3-4-7/h5,7H,3-4H2,1-2H3,(H,12,17)(H,13,14,15,16).
What are the key properties of 2-(cyclopropanecarbonylamino)-N,4-dimethylpyrimidine-5-carboxamide?
2-(cyclopropanecarbonylamino)-N,4-dimethylpyrimidine-5-carboxamide has a molecular weight of 234.26 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonylamino)-N,4-dimethylpyrimidine-5-carboxamide is sourced from PubChem (CID 177347100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).